6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide

C11H18ClN3O3S — CID 64599948

IUPAC6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-10(12)11(13)14-7-9/h6-8,16H,3-5H2,1-2H3,(H2,13,14)
InChIKeyJWMQTQPNFASDOO-UHFFFAOYSA-N
MW307.80 g/mol
LogP1.10
Rot. Bonds6

About 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide

6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide (PubChem CID 64599948) has the molecular formula C11H18ClN3O3S and a molecular weight of 307.80 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
PubChem CID64599948
Molecular FormulaC11H18ClN3O3S
Molecular Weight307.80 g/mol
Exact Mass307.08
IUPAC Name6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-10(12)11(13)14-7-9/h6-8,16H,3-5H2,1-2H3,(H2,13,14)
InChIKeyJWMQTQPNFASDOO-UHFFFAOYSA-N
XLogP1.10
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 115329913
6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide
CID 64607575
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
3,4-dichloro-N-(3-chloropropyl)-N-propan-2-ylbenzenesulfonamide
CID 23323135
2-chloro-N-(3-hydroxypropyl)-N-propan-2-yl-1,3-thiazole-5-sulfonamide
CID 61047095
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
6-amino-5-chloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64607743
2,5-dichloro-N-(3-hydroxypropyl)-3,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 61039183
3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126800
2-[4-[(6-amino-5-chloro-3-pyridinyl)sulfonyl]piperazin-1-yl]ethanol
CID 64606200

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide (CID 64599948) is 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide?
The InChIKey is JWMQTQPNFASDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-10(12)11(13)14-7-9/h6-8,16H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide?
6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide has a molecular weight of 307.80 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-3-sulfonamide is sourced from PubChem (CID 64599948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).